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1220419-54-4 | 3-Pyridinecarboxylic acid, 5-bromo-2-(dimethylamino)-, methyl ester
CAS No: 1220419-54-4 Catalog No: AG0016OD MDL No:MFCD27501032
Product Description
Catalog Number:
AG0016OD
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-2-(dimethylamino)-, methyl ester
CAS Number:
1220419-54-4
Molecular Formula:
C9H11BrN2O2
Molecular Weight:
259.0998
MDL Number:
MFCD27501032
IUPAC Name:
methyl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate
InChI:
InChI=1S/C9H11BrN2O2/c1-12(2)8-7(9(13)14-3)4-6(10)5-11-8/h4-5H,1-3H3
InChI Key:
BRPCDQBNJWOEKD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cnc1N(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.103g/mol
Monoisotopic Mass:
258g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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